(1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate

C16H20N2O3 — CID 91028074

IUPAC(1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate
SMILESNC(=O)C1(OC(=O)C2CCCN2)CCCc2ccccc21
InChIInChI=1S/C16H20N2O3/c17-15(20)16(21-14(19)13-8-4-10-18-13)9-3-6-11-5-1-2-7-12(11)16/h1-2,5,7,13,18H,3-4,6,8-10H2,(H2,17,20)
InChIKeyLCQQGPWNFAHNRK-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.00
Rot. Bonds3

About (1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate

(1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate (PubChem CID 91028074) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate
PubChem CID91028074
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate
SMILESNC(=O)C1(OC(=O)C2CCCN2)CCCc2ccccc21
InChIInChI=1S/C16H20N2O3/c17-15(20)16(21-14(19)13-8-4-10-18-13)9-3-6-11-5-1-2-7-12(11)16/h1-2,5,7,13,18H,3-4,6,8-10H2,(H2,17,20)
InChIKeyLCQQGPWNFAHNRK-UHFFFAOYSA-N
XLogP1.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride
CID 119340083
5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate
CID 82118328
(4-amino-2-benzyl-4-oxobutanoyl) (2S)-pyrrolidine-2-carboxylate
CID 88797267
[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
benzenesulfonyl pyrrolidine-2-carboxylate
CID 54547864
thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate
CID 78923175
1-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 114989948
1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 114991852
(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97219151
2-phenoxyethyl pyrrolidine-2-carboxylate
CID 61302272
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
(2-methylphenyl)methyl pyrrolidine-2-carboxylate
CID 82114190

Frequently Asked Questions

What is the IUPAC name of (1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate?
The IUPAC name of (1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate (CID 91028074) is (1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate.
What is the SMILES notation for (1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate?
The canonical SMILES for (1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate is NC(=O)C1(OC(=O)C2CCCN2)CCCc2ccccc21.
What is the InChIKey of (1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate?
The InChIKey is LCQQGPWNFAHNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c17-15(20)16(21-14(19)13-8-4-10-18-13)9-3-6-11-5-1-2-7-12(11)16/h1-2,5,7,13,18H,3-4,6,8-10H2,(H2,17,20).
What are the key properties of (1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate?
(1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate is sourced from PubChem (CID 91028074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).